Receptor
PDB id Resolution Class Description Source Keywords
2J79 1.94 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GALACTO-HYDROXIMOLACTAM THERMOTOGA MARITIMA FAMILY 1 HYDROLASE INHIBITOR GLYCOSIDASE POLYSACCHARIDE DEGRADATION TRANSITION STATE MIMIC CARBOHYDRATE METABOLISM GLYCOSIDE HYDROLASE CELLULOSE DEGRADATION
Ref.: GLYCOSIDASE INHIBITION: AN ASSESSMENT OF THE BINDING OF 18 PUTATIVE TRANSITION-STATE MIMICS. J.AM.CHEM.SOC. V. 129 2345 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1447;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA B:1447;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GTL A:1446;
B:1446;
 Valid;
Valid;
 none;
none;
 Kd = 1.1 uM
192.17 C6 H12 N2 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CET 1.97 Å EC: 3.2.1.21 BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE THERMOTOGA MARITIMA GLYCOSIDE HYDROLASE INHIBITOR TRANSITION STATE MIMIC FAMILY 1 PHENETHYL-SUBSTITUTED GLUCOIMIDAZOLE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND THERMODYNAMIC ANALYSIS OF GLUCOIMIDAZOLE-DERIVED GLYCOSIDASE INHIBITORS. BIOCHEMISTRY V. 45 11879 2006
Members (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
2 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
3 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
4 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
5 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
6 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
7 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
8 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
9 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
10 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
11 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
12 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
14 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
15 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
16 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
17 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
18 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
19 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
20 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
21 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
22 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
23 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
24 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
25 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
26 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
2 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
3 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
4 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
5 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
6 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
7 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
8 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
9 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
10 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
11 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
12 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
14 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
15 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
16 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
17 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
18 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
19 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
20 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
21 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
22 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
23 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
24 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
25 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
26 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 6R4K Ki = 51 uM JSK C17 H25 N7 O4 [H]/N=N/NC....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
18 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
21 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
22 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
23 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
25 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
26 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
27 4IPN - SGC RTG n/a n/a
28 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
29 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
30 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
31 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
32 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
33 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
34 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
35 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
36 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
37 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
38 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
39 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
40 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
41 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
42 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
43 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
44 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
45 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
46 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
47 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
48 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
49 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
50 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
51 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
52 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
53 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
54 4JIE - BMA C6 H12 O6 C([C@@H]1[....
55 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
57 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
58 3AIS - HBK BGC n/a n/a
59 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
60 4PTX - BGC C6 H12 O6 C([C@@H]1[....
61 4PTV - SGC BGC n/a n/a
62 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
63 6RJM - GLC C6 H12 O6 C([C@@H]1[....
64 6RK2 - 6GR C13 H16 O8 c1ccc(c(c1....
65 6RJO - SA0 C13 H18 O7 c1ccc(c(c1....
66 5AYI - BGC C6 H12 O6 C([C@@H]1[....
67 1E56 - BGC HBO n/a n/a
68 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
69 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
70 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
71 1H49 - HBO BGC n/a n/a
72 5GNX - BGC C6 H12 O6 C([C@@H]1[....
73 5GNY - BGC C6 H12 O6 C([C@@H]1[....
74 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
75 2E40 - LGC C6 H10 O6 C([C@@H]1[....
76 3F5K Ki = 0.024 mM BGC BGC BGC BGC BGC n/a n/a
77 7BZM - GIM C8 H13 N2 O4 c1c[n+]2c(....
78 4QLL Ka = 2400 M^-1 BGC BGC BGC BGC n/a n/a
79 4QLJ - BGC BGC BGC BGC n/a n/a
80 3F5J Ki = 0.052 mM BGC BGC BGC BGC n/a n/a
81 4QLK Ka = 1800 M^-1 BGC BGC BGC BGC n/a n/a
82 3F5L Ki = 0.191 mM BGC BGC n/a n/a
83 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
84 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
85 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
86 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
87 1V03 - BGC CCN IPH n/a n/a
88 2O9T - BGC C6 H12 O6 C([C@@H]1[....
89 2O9R Ki = 21 mM SGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GTL; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GOX 1 1
2 GTL 1 1
3 15A 0.534884 0.788462
4 17B 0.489362 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: GTL; Similar ligands found: 523
No: Ligand Similarity coefficient
1 GAL 0.9729
2 MBG 0.9725
3 149 0.9631
4 2FG 0.9630
5 AMG 0.9627
6 GLA 0.9624
7 YIO 0.9622
8 GLC 0.9603
9 2H5 0.9581
10 1GN 0.9534
11 GAF 0.9510
12 GTZ 0.9495
13 RM4 0.9460
14 X6X 0.9455
15 GTR 0.9451
16 RNS 0.9433
17 FCB 0.9400
18 GCO 0.9393
19 FDK 0.9361
20 15L 0.9360
21 LGC 0.9344
22 URC 0.9332
23 7D2 0.9319
24 BGC 0.9312
25 KIB 0.9303
26 FH2 0.9296
27 FHN 0.9288
28 PSV 0.9271
29 4HC 0.9269
30 GCS 0.9253
31 MFU 0.9251
32 BMA 0.9239
33 7VJ 0.9237
34 EMZ 0.9231
35 WOO 0.9230
36 GCB 0.9227
37 9DG 0.9224
38 V55 0.9223
39 ALL 0.9221
40 G3F 0.9219
41 M1Q 0.9218
42 FUC 0.9209
43 PXL 0.9204
44 LFR 0.9198
45 DNC 0.9197
46 SR4 0.9196
47 7VS 0.9190
48 BDP 0.9184
49 MAN 0.9182
50 KIA 0.9169
51 6VD 0.9168
52 7WR 0.9165
53 GUN 0.9164
54 J9W 0.9162
55 8S0 0.9160
56 INS 0.9159
57 GT0 0.9154
58 EVA 0.9153
59 ICO 0.9152
60 HQD 0.9151
61 NTZ 0.9149
62 AEZ 0.9149
63 LRH 0.9149
64 CTS 0.9148
65 5WY 0.9147
66 PRZ 0.9144
67 329 0.9144
68 ADA 0.9136
69 Q6T 0.9132
70 IJZ 0.9132
71 4ME 0.9132
72 GIM 0.9130
73 GCU 0.9130
74 SHG 0.9127
75 G6D 0.9126
76 XAN 0.9124
77 UAN 0.9122
78 AKH 0.9120
79 2GS 0.9119
80 C2U 0.9113
81 FOT 0.9109
82 DIE 0.9108
83 3MG 0.9108
84 9MG 0.9100
85 DIU 0.9100
86 GIO 0.9097
87 AH8 0.9097
88 2ZQ 0.9089
89 GXL 0.9087
90 7MH 0.9083
91 LSA 0.9082
92 T6C 0.9078
93 UEG 0.9076
94 IPZ 0.9075
95 GIV 0.9074
96 GDE 0.9074
97 4M4 0.9072
98 EUG 0.9072
99 DHK 0.9071
100 I3A 0.9065
101 4HM 0.9061
102 SF6 0.9057
103 M1E 0.9054
104 KBG 0.9053
105 4XV 0.9050
106 I1N 0.9049
107 II6 0.9048
108 NVU 0.9046
109 HLZ 0.9046
110 FUL 0.9043
111 42C 0.9040
112 Q88 0.9035
113 FCA 0.9033
114 HLD 0.9033
115 VNL 0.9030
116 NDM 0.9030
117 F0J 0.9028
118 PXM 0.9027
119 RPQ 0.9020
120 7ZE 0.9020
121 948 0.9016
122 25W 0.9016
123 PHT 0.9012
124 X09 0.9011
125 NTM 0.9009
126 VOH 0.9008
127 QSH 0.9004
128 HZQ 0.9003
129 SFU 0.9003
130 5WX 0.9003
131 VK3 0.9002
132 Q24 0.9001
133 7HQ 0.8999
134 NOJ 0.8998
135 MMA 0.8995
136 FE DB1 0.8995
137 B55 0.8995
138 LKA 0.8994
139 ZWZ 0.8989
140 MT0 0.8989
141 D07 0.8987
142 9PY 0.8986
143 HH5 0.8984
144 INE 0.8983
145 B57 0.8982
146 XXR 0.8981
147 M0W 0.8981
148 12B 0.8981
149 HJP 0.8980
150 ZZ3 0.8980
151 DRL 0.8979
152 RAM 0.8978
153 AIN 0.8976
154 FA3 0.8976
155 4RW 0.8975
156 UNC 0.8975
157 B53 0.8974
158 6LW 0.8974
159 NCD 0.8973
160 DGJ 0.8972
161 AOS 0.8971
162 GOG 0.8970
163 H6B 0.8969
164 QPR 0.8968
165 JTH 0.8968
166 ORO 0.8966
167 V6F 0.8965
168 DQA 0.8964
169 IF7 0.8960
170 495 0.8960
171 OXC 0.8958
172 680 0.8957
173 EXO 0.8954
174 ABE 0.8952
175 0GZ 0.8951
176 MVL 0.8950
177 JIF 0.8945
178 MO8 0.8945
179 GYP 0.8944
180 5RO 0.8944
181 3Z7 0.8943
182 TBP 0.8940
183 4XS 0.8934
184 AZA 0.8934
185 XAZ 0.8934
186 SF9 0.8931
187 FA6 0.8930
188 PFB 0.8929
189 DIG 0.8928
190 290 0.8928
191 G4D 0.8927
192 YSO 0.8927
193 HA7 0.8925
194 B62 0.8923
195 0CU 0.8918
196 FP1 0.8917
197 SOE 0.8917
198 6AP 0.8917
199 5M0 0.8914
200 3F0 0.8913
201 AEH 0.8912
202 39U 0.8912
203 QAS 0.8910
204 3DO 0.8910
205 1XM 0.8909
206 SRO 0.8908
207 35C 0.8907
208 GLT 0.8906
209 OA3 0.8906
210 5RG 0.8905
211 UFO 0.8902
212 YH7 0.8902
213 ASC 0.8902
214 G5V 0.8901
215 3IT 0.8901
216 SKM 0.8900
217 F31 0.8899
218 APZ 0.8898
219 BOA 0.8898
220 54G 0.8897
221 TEP 0.8897
222 PE0 0.8897
223 FDB 0.8896
224 ZZ8 0.8896
225 9TZ 0.8895
226 IGA 0.8894
227 CBF 0.8894
228 X05 0.8893
229 EOL 0.8893
230 A2F 0.8893
231 JKZ 0.8892
232 06B 0.8892
233 DX4 0.8890
234 CIT 0.8889
235 DBJ 0.8889
236 3R6 0.8888
237 K3Q 0.8888
238 34D 0.8886
239 6GU 0.8886
240 141 0.8886
241 KLW 0.8886
242 MEW 0.8885
243 GLF 0.8884
244 4PW 0.8882
245 5JQ 0.8882
246 BTY 0.8878
247 AJ2 0.8878
248 8XQ 0.8878
249 NQ 0.8877
250 M1H 0.8877
251 GOO 0.8875
252 RXA 0.8875
253 XYS 0.8875
254 0P6 0.8874
255 HXX 0.8874
256 DOR 0.8874
257 M5K 0.8870
258 QBK 0.8870
259 KOJ 0.8869
260 8GK 0.8868
261 GTQ 0.8867
262 2D0 0.8866
263 FSW 0.8865
264 2A7 0.8865
265 12M 0.8861
266 8VN 0.8861
267 6CS 0.8860
268 23J 0.8860
269 NGO 0.8859
270 DEE 0.8859
271 M0Q 0.8858
272 NDH 0.8857
273 3DM 0.8857
274 AZG 0.8856
275 GCV 0.8856
276 PA1 0.8855
277 BCP 0.8852
278 DHB 0.8851
279 DMJ 0.8850
280 SYA 0.8850
281 S76 0.8849
282 AZ8 0.8849
283 3M0 0.8849
284 TFU 0.8848
285 4AA 0.8848
286 PSJ 0.8842
287 GV9 0.8842
288 BDF 0.8842
289 IFL 0.8840
290 QIC 0.8840
291 3MA 0.8840
292 3XX 0.8840
293 DBH 0.8839
294 FRU 0.8839
295 3MB 0.8838
296 ARA 0.8838
297 CFP 0.8838
298 5MK 0.8837
299 MSN 0.8836
300 KJY 0.8835
301 JFD 0.8835
302 AQO 0.8835
303 3HA 0.8835
304 AS3 0.8833
305 EJZ 0.8832
306 D1X 0.8830
307 ISE 0.8829
308 BK9 0.8827
309 39A 0.8826
310 XQG 0.8825
311 ADE 0.8825
312 AUD 0.8824
313 G2F 0.8824
314 HNQ 0.8823
315 G1O 0.8823
316 DQN 0.8823
317 DZX 0.8823
318 7NI 0.8822
319 44V 0.8820
320 ARB 0.8818
321 ICT 0.8817
322 2MN 0.8815
323 GZ8 0.8814
324 R8S 0.8813
325 FUF 0.8813
326 SOR 0.8810
327 HPA 0.8807
328 FGZ 0.8807
329 FLC 0.8805
330 IPT 0.8805
331 94B 0.8804
332 1X7 0.8804
333 7HP 0.8803
334 GYE 0.8803
335 4XR 0.8803
336 1LQ 0.8801
337 HTP 0.8800
338 KDO 0.8800
339 Z5P 0.8797
340 SXS 0.8796
341 UFV 0.8796
342 RD4 0.8796
343 DPZ 0.8791
344 75K 0.8789
345 AFR 0.8789
346 BTE 0.8788
347 ASO 0.8787
348 M3S 0.8787
349 FBG 0.8787
350 KFH 0.8786
351 8IG 0.8780
352 PYQ 0.8780
353 ADK 0.8780
354 BE2 0.8779
355 0MK 0.8778
356 IPM 0.8777
357 MHK 0.8777
358 ZB1 0.8776
359 3RK 0.8776
360 QAT 0.8775
361 OXZ 0.8775
362 9FQ 0.8773
363 OVM 0.8770
364 AW5 0.8769
365 N8P 0.8768
366 HDL 0.8768
367 TTY 0.8767
368 8WT 0.8766
369 L7T 0.8763
370 G8M 0.8763
371 60Q 0.8762
372 F69 0.8762
373 IOS 0.8762
374 JZ3 0.8761
375 CWM 0.8760
376 ES0 0.8759
377 AHR 0.8756
378 82I 0.8754
379 BNT 0.8754
380 MFB 0.8753
381 RIB 0.8750
382 LT8 0.8748
383 8VE 0.8745
384 CN0 0.8744
385 5NS 0.8743
386 1XN 0.8743
387 LCN 0.8741
388 I6G 0.8741
389 IFM 0.8740
390 NID 0.8739
391 6XI 0.8738
392 D3M 0.8737
393 CFF 0.8736
394 DBX 0.8734
395 MIG 0.8731
396 ISD 0.8729
397 8CM 0.8728
398 CWS 0.8728
399 CKX 0.8727
400 3C2 0.8725
401 YQA 0.8725
402 EV0 0.8722
403 ENL 0.8722
404 O2A 0.8721
405 XYP 0.8718
406 CTL 0.8718
407 SR1 0.8717
408 3C1 0.8715
409 GIF 0.8714
410 EYK 0.8713
411 AGK 0.8713
412 95Z 0.8712
413 JUG 0.8711
414 1DW 0.8711
415 2XX 0.8710
416 B0D 0.8708
417 HX3 0.8708
418 HHA 0.8707
419 LZM 0.8707
420 H7Y 0.8706
421 42A 0.8705
422 IV2 0.8704
423 NOY 0.8703
424 IBF 0.8702
425 SYR 0.8701
426 3C7 0.8701
427 5NE 0.8700
428 DFB 0.8700
429 4MU 0.8699
430 5QX 0.8698
431 B60 0.8697
432 2SX 0.8696
433 F5B 0.8691
434 6KX 0.8688
435 XHP 0.8688
436 3R9 0.8687
437 MNM 0.8687
438 6F0 0.8687
439 KUF 0.8686
440 JKE 0.8685
441 F81 0.8685
442 23A 0.8685
443 ES1 0.8684
444 NGT 0.8682
445 GNL 0.8682
446 M5N 0.8682
447 GCW 0.8681
448 NSG 0.8676
449 24W 0.8676
450 4XY 0.8672
451 7B3 0.8671
452 5SG 0.8670
453 GM7 0.8670
454 2EC 0.8670
455 BP1 0.8669
456 OW7 0.8665
457 IBM 0.8664
458 H33 0.8663
459 4P0 0.8662
460 209 0.8659
461 AZ9 0.8659
462 10L 0.8658
463 293 0.8657
464 ZVO 0.8656
465 K5W 0.8653
466 RNT 0.8650
467 E7Z 0.8650
468 GRE 0.8649
469 5Q0 0.8649
470 7WA 0.8648
471 1SQ 0.8647
472 5WU 0.8647
473 9HX 0.8644
474 SX1 0.8644
475 3BU 0.8642
476 DHS 0.8641
477 0RN 0.8640
478 9DA 0.8640
479 NBG 0.8640
480 HQY 0.8639
481 ES4 0.8637
482 NFQ 0.8637
483 PRF 0.8633
484 REL 0.8633
485 286 0.8633
486 6MP 0.8632
487 GJS 0.8629
488 5IQ 0.8628
489 4YS 0.8627
490 NK 0.8625
491 B2J 0.8624
492 H76 0.8622
493 0N7 0.8620
494 VXX 0.8619
495 KT7 0.8615
496 KGK 0.8612
497 TRA 0.8612
498 OTW 0.8612
499 A7W 0.8608
500 SWA 0.8599
501 MZB 0.8590
502 9KT 0.8589
503 AZF 0.8588
504 YTB 0.8587
505 3CU 0.8586
506 RIP 0.8586
507 2ZV 0.8585
508 TRC 0.8584
509 IP0 0.8583
510 KDF 0.8582
511 KP6 0.8580
512 PM6 0.8580
513 SJ5 0.8578
514 6M1 0.8568
515 LYL 0.8563
516 3GQ 0.8551
517 XQK 0.8546
518 TNF 0.8541
519 1NP 0.8540
520 HHT 0.8538
521 0FN 0.8535
522 ZXD 0.8525
523 DFU 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CET; Ligand: PGI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cet.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CET; Ligand: PGI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2cet.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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